SCOPUS 정보 검색 플랫폼

Volumn 100, Issue 11, 2000, Pages 4087-4108

Accurate intermolecular potentials obtained from molecular wave functions: bridging the gap between quantum chemistry and molecular simulations

(3) Engkvist, Ola a Åstrand, Per Olof b Karlström, Gunnar c

a J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY (Czech Republic)

b TECHNICAL UNIVERSITY OF DENMARK (Denmark)

c LUND UNIVERSITY (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ELECTROSTATICS; LIQUIDS; MOLECULAR STRUCTURE; MOLECULES; PERTURBATION TECHNIQUES; QUANTUM THEORY; SOLUTIONS; SURFACE REACTIONS; WAVE EQUATIONS;

INTERMOLECULAR INTERACTIONS; INTERMOLECULAR POTENTIALS; MOLECULAR CLUSTERS; MOLECULAR WAVE FUNCTIONS; QUANTUM CHEMISTRY; RAYLEIGH SCHRODINYER PERTURBATION THEORY; SOLVATION; SOLVENT EFFECTS;

MOLECULAR DYNAMICS;

EID: 0034316197 PISSN: 00092665 EISSN: None Source Type: Journal
DOI: 10.1021/cr9900477 Document Type: Article

Times cited : (173)

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